C,1,51.98,s,
O,2,,,
C,3,168.95,s,
O,4,,,
C,5,32.22,s,
C,6,40.4,s,
C,7,,,
O,8,,,
C,9,38.24,s,
C,10,30.0,s,
C,11,39.06,s,
C,12,16.98,s,
C,13,175.75,s,
O,14,,,
O,15,,,
C,16,70.57,s,
C,17,50.4,s,
C,18,73.8,s,
O,19,,,
C,20,170.1,s,
C,21,21.6,s,
O,22,,,
C,23,94.3,s,
O,24,,,
C,25,84.2,s,
C,26,18.3,s,
C,27,70.2,s,
O,28,,,
C,29,168.5,s,
O,30,,,
C,31,125.4,s,
C,32,137.6,s,
C,33,121.1,s,
C,34,151.35,s,
N,35,,,
C,36,165.0,s,
C,37,36.35,s,
C,38,11.85,s,
C,39,45.0,s,
C,40,9.3,s,
C,41,174.45,s,
O,42,,,
O,43,,,
C,44,75.2,s,
C,45,80.31,s,
O,46,,,
C,47,171.68,s,
C,48,20.88,s,
O,49,,,
C,50,71.6,s,
O,51,,,
C,52,169.2,s,
C,53,20.5,s,
O,54,,,
C,55,52.75,s,
C,56,60.45,s,
O,57,,,
C,58,172.96,s,
O,59,,,
C,60,71.4,s,
O,61,,,
C,62,169.05,s,
C,63,21.15,s,
O,64,,,
C,65,70.2,s,
C,66,23.17,s,
O,67,,,
H,68,3.61,s,
H,69,3.61,s,
H,70,3.61,s,
H,71,2.9,d,6.6
H,72,2.9,d,6.6
H,73,2.83,t,6.6
H,74,2.67,ddd,"15.4,9.8,9.7"
H,75,2.67,ddd,"15.4,9.0,1.2"
H,76,1.58,m,
H,77,1.58,m,
H,78,2.41,qdd,"6.7,4.8,4.3"
H,79,1.13,d,6.7
H,80,1.13,d,6.7
H,81,1.13,d,6.7
H,82,5.54,dd,"6.1,1.8"
H,83,2.83,dd,"2.5,1.8"
H,84,7.02,d,2.5
H,85,2.04,s,
H,86,2.04,s,
H,87,2.04,s,
H,88,1.69,s,
H,89,1.69,s,
H,90,1.69,s,
H,91,5.95,s,
H,92,5.95,s,
H,93,8.08,dd,"10.4,1.4"
H,94,7.27,dd,"10.4,4.4"
H,95,8.68,dd,"4.4,1.4"
H,96,4.66,dq,"8.3,6.7"
H,97,1.38,d,6.7
H,98,1.38,d,6.7
H,99,1.38,d,6.7
H,100,2.55,dq,"8.3,6.7"
H,101,1.21,d,6.7
H,102,1.21,d,6.7
H,103,1.21,d,6.7
H,104,4.75,d,9.9
H,105,5.21,dd,"10.0,9.9"
H,106,2.05,s,
H,107,2.05,s,
H,108,2.05,s,
H,109,5.71,d,10.0
H,110,2.0,s,
H,111,2.0,s,
H,112,2.0,s,
H,113,5.24,s,
H,114,5.24,s,
H,115,5.32,d,6.1
H,116,2.0,s,
H,117,2.0,s,
H,118,2.0,s,
H,119,1.54,s,
H,120,1.54,s,
H,121,1.54,s,
H,122,,,
